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A study of phase transition in (NH4)(3)WO3F3 oxyfluoride by Raman scattering / A. S. Krylov [et al.] // Phys. Status Solidi B. - 2006. - Vol. 243, Is. 2. - P. 435-441, DOI 10.1002/pssb.200541259. - Cited References: 11 . - ISSN 0370-1972

РУБ Physics, Condensed Matter
Рубрики:
ELPASOLITE RB2KSCF6
Аннотация: Raman scattering spectra of perovskite-like (NH4)(3)WO3F3 oxyfluoride are studied in the 70-3600 cm(-1) frequency range and the 93-323 K temperature range including the transition point from orientationally disordered cubic phase into the lower symmetry one. Internal vibrations of ammonium ions and WO3F3 octahedra have been found to exhibit transition anomalies. Analysis of measurements suggests that the transition under study is due mainly to the ordering of octahedra.

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Держатели документа:
Kirensky Inst Phys, Krasnoyarsk 660036, Russia
Inst Chem, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, 660036 Krasnoyarsk, Russian Federation
Institute of Chemistry, 690022 Vladivostok, Russian Federation

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Gerasimova, J. V.; Герасимова, Юлия Валентиновна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Laptash, N. M.; Voyt, E. I.
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Aleksandrov, K. S.
Successive phase-transitions in ferroelastic cs2rbdyf6 with elpasolite-type structure / K. S. Aleksandrov, S. V. Melnikova, S. V. Misyul // Phys. Status Solidi A. - 1987. - Vol. 104, Is. 2. - P. 545-548, DOI 10.1002/pssa.2211040205. - Cited References: 6 . - ISSN 0031-8965

РУБ Materials Science, Multidisciplinary + Physics, Applied + Physics, Condensed Matter

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Доп.точки доступа:
Melnikova, S. V.; Мельникова, Светлана Владимировна; Misyul, S. V.; Мисюль, Сергей Валентинович; Александров, Кирилл Сергеевич
}
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Calorimetric and x-ray diffraction studies of the (NH4)(3)WO3F3 and (NH4)(3)TiOF5 perovskite-like oxyfluorides / I. N. Flerov [et al.] // Phys. Solid State. - 2004. - Vol. 46, Is. 5. - P. 915-921, DOI 10.1134/1.1744971. - Cited References: 11 . - ISSN 1063-7834

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
ELPASOLITE
K3MOO3F3
Аннотация: The heat capacity and unit cell parameters of the (NH4)(3)WO3F3 and (NH4)(3)TiOF5 perovskite-like oxyfluorides were measured in the temperature interval from 80 to 300 K; the existence of two and one phase transitions in these compounds, respectively, was demonstrated, and their thermodynamic parameters were determined. The effect of a hydrostatic pressure of up to 0.5 GPa on the phase transition temperatures was studied. Triple points and high-pressure phases were found in the T vs. p diagrams. An analysis of entropy changes suggests that all the structural transformations revealed are associated with the ordering of structural blocks. (C) 2004 MAIK "Nauka / Interperiodica".

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Держатели документа:
Russian Acad Sci, Siberian Div, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Inst Chem, Far E Div, Vladivostok 690022, Russia
ИФ СО РАН
Kirensky Institute of Physics, Siberian Division, Russian Academy of Sciences, Akademgorodok, Krasnoyarsk, 660036, Russian Federation
Institute of Chemistry, Far East Division, Russian Academy of Sciences, pr. Stoletiya Vladivostoka 159, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Fokina, V. D.; Фокина, Валентина Дмитриевна; Bovina, A. F.; Бовина, Ася Федоровна; Laptash, N. M.
}
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Calorimetric, dilatometric and DTA under pressure studies of the phase transitions in elpasolite (NH4)2KZrF7 / M. V. Gorev, A. V. Kartashev, E. V. Bogdanov [et al.] // J. Fluor. Chem. - 2020. - Vol. 235. - Ст. 109523, DOI 10.1016/j.jfluchem.2020.109523. - Cited References: 45. - The reported study was funded by RFBR according to the research project No. 18-02-00269 a. X-ray and dilatometric data were obtained using the equipment of Krasnoyarsk Regional Center of Research Equipment of Federal Research Center "Krasnoyarsk Science Center SB RAS" . - ISSN 0022-1139
Кл.слова (ненормированные):
Phase transition -- Fluorides -- Heat capacity -- Entropy -- Thermal expansion -- High pressure
Аннотация: Heat capacity, thermal expansion, and sensitivity to the hydrostatic pressure of (NH4)2KZrF7 elpasolite are studied in a wide temperature range. The changes in deformation and entropy during successive phase transitions are determined: Δ(ΔV/V) = 3·10−4; ΔS = 8 J/mol K The temperatures and entropies of phase transitions turned out to be slightly sensitive to pressure changes. An analysis of the entropy of phase transformations was performed in the framework of the model of the cubic phase structure Fm-3 m. In the low temperature phase, an anomalous behavior of thermodynamic properties, which is not characteristic of phase transitions, was observed, accompanied by a significant change in the crystal lattice entropy.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radioelectronics, Siberian Federal University, Krasnoyarsk, 660074, Russian Federation
Astafijev Krasnoyarsk State Pedagogical University, Krasnoyarsk, 660049, Russian Federation
Institute of Engineering Systems and Energy, Krasnoyarsk State Agrarian University, Krasnoyarsk, 660049, Russian Federation
Institute of Chemistry, Far Eastern Department of RAS, Vladivostok, 690022, Russian Federation

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Kartashev, A. V.; Карташев, Андрей Васильевич; Bogdanov, E. V.; Богданов, Евгений Витальевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.
}
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Effects of anion ordering on structural and optical properties of K3WO3F3 elpasolite / B. I. Kidyarov [et al.] // The 7th International Seminar on Ferroelastic Physics : abstract book. - Voronezh, 2012. - P. 63

Программа семинара,
Материалы конференции

Доп.точки доступа:
Kidyarov, B. I.; Atuchin, V. V.; Атучин, Виктор Валерьевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Isaenko, L. I.; Yelisseyev, A. P.; Zhurkov, S. A.; Воронежский государственный технический университет; Российская академия наук; Международный семинар по физике сегнетоэластиков (7(12) ; 2012 ; сент. ; 10-13 ; Воронеж); International Seminar on ferroelastic physics (7 ; 2012 ; Sept. 10-13 ; Voronezh)
}
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EPR study of nanodefects with elpasolite structure [Text] / Voronov V.N., Petrakovskaya E.A. // International Conference "Functional Materials" (ICFM-2011) : Book of abstracts. - 2011. - P85

Доп.точки доступа:
Voronov, V.N.; Petrakovskaya, E.A.; "Functional Materials", International Conference(4 ; 2011 ; Oct. ; 3-8 ; Crimea, Ukraine); "Функциональные материалы", Международная конференция(4 ; 2011 ; Симферополь, Украина)
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EPR study of single crystals Rb2KB F6 (B* = Sc, Fe, Dy) with elpasolite structure [Text] / V. N. Voronov, E. A. Petrakovskaya // International Conference Functional Materials (ICFM-2011) : Book of abstracts : [3-8 Oct. 2011, Crimea, Ukraine]. - 2011. - P85

Доп.точки доступа:
Voronov, V.N.; Petrakovskaya, E.A.; International Conference Functional Materials(6 ; 2011 ; Oct. ; Crimea, Ukraine)
}
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Experimental and theoretical methods to study structural phase transition mechanisms in K3WO3F3 oxyfluoride / A. S. Krylov [et al.] // J. Solid State Chem. - 2014. - Vol. 218. - P. 32-37, DOI 10.1016/j.jssc.2014.05.028. - Cited References: 21. - The Authors are grateful to Prof. Zinenko V.I. for constructive discussion of the results. The work has been done with financial support of the Russian Foundation for Basic Research projects nos. 4828.2012.2, 12-02-31205; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" project no. 8379. . - ISSN 0022-4596. - ISSN 1095-726X

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical
Рубрики:
LATTICE-DYNAMICS
   RAMAN-SCATTERING
   ELPASOLITE
   (NH4)3WO3F3
   SPECTROSCOPY
   CRYSTALS
Кл.слова (ненормированные):
Raman spectroscopy -- IR spectroscopy -- NMR spectroscopy -- High hydrostatic pressure -- Oxyfluorides -- Lattice dynamics calculations
Аннотация: The results of structural phase transitions mechanisms study in K3WO3F3oxyfluoride are represented by different experimental and theoretical methods. The structural phase transition anomalies at T1=452 K and T2=414 K of Raman and IR spectra have been analyzed. Using vibrational spectroscopy methods, the NMR-experiment has been done to clarify the nature of found phase transitions: displacive types or order-disorder types. The model of “disordered” crystal was proposed, and the results of lattice dynamics calculation in frameworks of the generalized Gordon–Kim method of ordered (R3) and “disordered” crystals were compared. The high pressure phases were studied by the Raman technique too.

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Держатели документа:
Russian Acad Sci, Siberian Branch, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
Russian Acad Sci, Siberian Branch, VS Sobolev Inst Geol & Mineral, Novosibirsk 630090, Russia

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Sofronova, S. N.; Софронова, Светлана Николаевна; Kolesnikova, E. M.; Колесникова, Евгения Михайловна; Ivanov, Y. N.; Иванов, Юрий Николаевич; Sukhovsky, A. A.; Суховский, Андрей Андреевич; Goryainov, S. V.; Ivanenko, A. A.; Иваненко, Александр Анатольевич; Shestakov, N. P.; Шестаков, Николай Петрович; Kocharova, A. G.; Кочарова, Алла Георгиевна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Russian Foundation for Basic Research [4828.2012.2, 12-02-31205]; Federal Special Program "Scientific and scientific-pedagogical staff of innovative Russia" [8379]
}
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    Exploration on anion ordering, optical properties and electronic structure in K3WO3F3 elpasolite / V. V. Atuchin [et al.] // J. Solid State Chem. - 2012. - Vol. 187. - P. 159-164, DOI 10.1016/j.jssc.2011.12.037. - Cited References: 50. - This study is partly supported by SB RAS Project No. 34. ZSL acknowledges the funding support of No. 91022036, 11174297, 2010CB630701, and 2011CB922204 in China. Authors also wish to thank V. D. Fokina for microcaloric measurements. . - ISSN 0022-4596
   Перевод заглавия: Исследование анионного упорядочения, оптических свойств и электронной структуры в эльпасолите K3WO3F3

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Physical + Chemical modification + Electronic structure + Optical properties + Potassium + Structure (composition)
Рубрики:
PHASE-TRANSITIONS
   CRYSTAL-GROWTH
   FERROELECTRIC K3WO3F3
   SOLID-STATE
   OXYFLUORIDE
   FLUORIDE
   POLAR
   CS
   (NH4)(3)MOO3F3
   APPROXIMATION
   Anion ordering
   Chemical routes
   Elpasolite
   First-priciples calculation
   Forbidden band
   Low temperatures
   Non-linear optical coefficients
   Nonlinear optical crystal
   Optical transparency
   Oxyfluorotungstate
   Room temperature
Кл.слова (ненормированные):
Oxyfluorotungstate -- Structure -- Nonlinear optical crystals -- Electronic and optical properties -- First-principles calculations
Аннотация: Room-temperature modification of potassium oxyfluorotungstate, G(2)-K3WO3F3, has been prepared by low-temperature chemical route and single crystal growth. Wide optical transparency range of 0.3-9.4 mu m and forbidden band gap E-g=4.32 eV have been obtained for G(2)-K3WO3F3 crystal. Meanwhile, its electronic structure has been calculated with the first-principles calculations. The good agreement between the theorectical and experimental results have been achieved. Furthermore, G(2)-K3WO3F3 is predicted to possess the relatively large nonlinear optical coefficients. (C) 2012 Elsevier Inc. All rights reserved.

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Держатели документа:
[Lin, Z. S.] Chinese Acad Sci, Tech Inst Phys & Chem, Beijing 100190, Peoples R China
[Atuchin, V. V.] SB RAS, Lab Opt Mat & Struct, Inst Semicond Phys, Novosibirsk 630090, Russia
[Isaenko, L. I.
Yelisseyev, A. P.
Zhurkov, S. A.] SB RAS, Lab Crystal Growth, Inst Geol & Mineral, Novosibirsk 630090, Russia
[Kesler, V. G.] Russian Acad Sci, Inst Semicond Phys, Lab Phys Principles Integrated Microelect, Novosibirsk 630090, Russia
[Molokeev, M. S.] SB RAS, Lab Crystal Phys, Inst Phys, Krasnoyarsk 660036, Russia

Доп.точки доступа:
Atuchin, V. V.; Isaenko, L. I.; Kesler, V. G.; Lin, Z. S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Yelisseyev, A. P.; Zhurkov, S. A.
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10.

    Ferroelastic phase transitions in fluorides with cryolite and elpasolite structures / I. N. Flerov [et al.] // Crystallogr. Rep. - 2004. - Vol. 49, Is. 1. - P. 100-107, DOI 10.1134/1.1643969. - Cited References: 43 . - ISSN 1063-7745
Рубрики:
NUCLEAR MAGNETIC-RESONANCE
   THERMODYNAMIC PROPERTIES
   RB2KMIIIF6 ELPASOLITES
   NEUTRON-DIFFRACTION
   CRYSTALS
   PEROVSKITES
   DIAGRAM
   SC
   RB2KGAXSC1-XF6
   SCATTERING
Аннотация: The ferroelastic phase transitions are investigated in several series of fluoride crystals belonging to the elpasolite and cryolite families (space group Fm (3) over barm) with the general formula A(2)BB'F-6. The influence of the size and shape of cations and anions on the entropy and the mechanism of structural distortions is discussed. (C) 2004 MAIK "Nauka/Interperiodica".

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Публикация на русском языке Сегнетоэластические фазовые переходы во фторидах со структурой криолита и эльпасолита [Текст] / И. Н. Флеров [и др.] // Кристаллография. - 2004. - Т. 49 Вып. 1. - С. 107-114

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Div, Krasnoyarsk 660036, Russia
Inst Chim Mat Condensee Bordeaux, F-33608 Pessac, France
ИФ СО РАН

Доп.точки доступа:
Flerov, I. N.; Флёров, Игорь Николаевич; Gorev, M. V.; Горев, Михаил Васильевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич; Tressaud, A.; Fokina, V. D.; Фокина, Валентина Дмитриевна
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